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0.74904305 0.75094417 0.63555462 0.91570972 0.91761084 0.36359754 0.00215643 0.15178129 0.21714847 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 2 2 1 0.00000000 0.00000000 0.00000000 0.50000000 0.00000000 0.00000000 0.00000000 0.50000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.50000000 0.00000000 0.00000000 0.00000000 0.50000000 0.00000000 0.50000000 0.50000000 0.00000000 0.25000000 0.25000000 0.25000000 0.25000000 No title F normal 242.67600000 446.01400000 0.00001000 38 10 916 -1 -1 1526.00000000 0 0 0 0 0.00000000 1 0.20000000 0.50000000 T T T -0.00050000 -0.00050000 -100 2 F 0 2 1 1 F 1.00000000 1.00000000 1.00000000 1.00000000 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1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000
1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 -1.00000000 F 0.00000000 0.00000000 1.00000000 F 0.00000000 0.00000000 0.00000000 F F F 60 -5 2 242.67600000 T F 0.00000000 0.00000000 0.30000000 4 0.40000000 0.40000000 1.00000000 0.10000000 1.60000000 1.00000000 4 F -45 100.00000000 1 1 5 F F 0 1.00000000 -100.00000000 -100.00000000 -100.00000000 0.00000000 36 36 112 72 72 224 F 0 -1 0 2 0.00000000 -0.02000000 0 0.50000000 -3.00000000 1.00000000 0.00010000 0.00010000 1 1 256 16.00000000 2 0.00001000 0 1.30000000 1.41000000 301 10.00000000 -10.00000000 0.00000000 1 F F F F F F F F 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 4 4 -1 T F F F F F 3 -1 F 95.94000000 118.71000000 0.00000000 0.00000000 1.00000000 1.00000000 T T F 0 F 0-- 1 F F F F F F -1.00000000 0 0 0.00000000 0.00000000 0.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1 1 1 F F F 0 0 F 0.00000000 0.00000000 0 F -0.84910000 0.12340000 1.00000000 0.00000000 0 13.99468800 1.00000000 F F F F 0 0.10000000 -1.00000000 0.00200000 -0.10000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 F 0.00000000 0.00000000 0.00000000 T F F F T 0 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 F F F F T 0 -1 0 0 0 F F F F F F 2 F F F F F F -2.00000000 -2.00000000 -1.00000000 F -1 0.00000000 0 0 -1 -1 -1 60 1 3 4 0 -30.00000000 -30.00000000 -200.00000000 0 -0.10000000 F F F F F F F 1 1 1 2800 0 -1 -1 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 F 109 2 ionelementatomtypeMo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Mo 1Sn 2typeatomspertypeelementmassvalencepseudopotential 108Mo 95.94000000 14.00000000 PAW_PBE Mo_sv 02Feb2006 1Sn 118.71000000 14.00000000 PAW_PBE Sn_d 06Sep2000 9.39666000 0.00000000 0.00000000 0.00000000 9.39666000 0.00000000 0.00000000 0.00000000 28.79330000 2542.36832031 0.10642079 0.00000000 0.00000000 0.00000000 0.10642079 0.00000000 0.00000000 0.00000000 0.03473030 0.08237638 0.08427750 0.20041954 0.29291401 0.18815856 0.84134757 0.08237638 0.08427750 0.52677179 0.24904305 0.25094417 0.47238037 0.08237638 0.08427750 0.41798896 0.24904305 0.25094417 0.58116320 0.09884221 0.06692195 0.73212585 0.24904305 0.25094417 0.25481408 0.08237638 0.08427750 0.30920613 0.24904305 0.25094417 0.68994603 0.08237638 0.08427750 0.63555462 0.24904305 0.25094417 0.36359754 0.08237638 0.41761084 0.20041954 0.10029923 0.40009342 0.82630373 0.08237638 0.41761084 0.52677179 0.24904305 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0.75094417 0.63555462 0.91570972 0.91761084 0.36359754 0.00215643 0.15178129 0.21714847 F F F T T T F F F F F F F F F F F F T T T F F F F F F F F F F F F F F F F F F T T T F F F F F F F F F F F F T T T F F F F F F F F F F F F F F F F F F T T T F F F F F F F F F F F F T T T F F F F F F F F F F F F F F F F F F T T T F F F F F F F F F F F F T T T F F F F F F F F F F F F F F F F F F T T T F F F F F F F F F F F F T T T F F F F F F F F F F F F F F F F F F T T T F F F F F F F F F F F F T T T F F F F F F F F F F F F F F F F F F T T T F F F F F F F F F F F F T T T F F F F F F F F F F F F F F F F F F T T T F F F F F F F F F F F F T T T F F F F F F F F F F F F F F F F F F T T T F F F F F F F F F F F F T T T F F F F F F F F F F F F F F F T T T -3.00000000 0.00000000 0.00010000 0.00010000 8581.08344698 525911.87495826 -709351.83588653 7360.64333993 163333.52382866 -161374.45513553 -0.00396516 -14704.13130884 203005.38856356 22762.08784133 22762.09180650 22762.08916306 8587.97811843 8587.99551654 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7937.86334006 7937.90918375 7937.87862129 7891.39362846 7891.47273948 7891.41999880 7134.28168028 7134.30283163 7134.28873073 3634.13947943 3634.12057294 3634.13317727 **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** **************** 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